4-[(2E)-2-[5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-[5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-[5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]cyclohexa-2,4-dien-1-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-[5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]-1-cyclohexa-2,4-dienylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-[5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-[5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]cyclohexa-2,4-dien-1-ylidene]hydrazino]besylic acid Formula: C21H20N3O3S2+ MolecularWeight: 426.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC(=NNC4=CC=C(C=C4)S(=O)(=O)O)C3

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC3=CC=C/C(=N/NC4=CC=C(C=C4)S(=O)(=O)O)/C3

InChI

InChI=1S/C21H19N3O3S2/c1-15-24(20-7-2-3-8-21(20)28-15)14-16-5-4-6-18(13-16)23-22-17-9-11-19(12-10-17)29(25,26)27/h2-12,22H,13-14H2,1H3/p+1/b23-18-